SCHEMBL4985814

SCHEMBL4985814

CCCCCNC(=O)[C@@H](N)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.68
LMNA P02545 1/20 0.56
PAX8 Q06710 1/20 0.56
DPP7 Q9UHL4 2/20 0.53
EPHX1 P07099 3/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
TLR2 O60603 1/20 0.50
KDM4A O75164 1/20 0.50
HPGD P15428 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2843459 1.00 NAAA (0.68) NAAALMNAPAX8DPP7EPHX1
SCHEMBL4982670 0.98 NAAA (0.71) NAAALMNAPAX8DPP7EPHX1
Hydrochloric Acid SCHEMBL4933073 0.98 NAAA (0.67) NAAALMNAPAX8DPP7EPHX1
SCHEMBL88365 0.98 NAAA (0.71) NAAALMNAPAX8DPP7EPHX1
Hydrochloric Acid SCHEMBL4933082 0.98 NAAA (0.67) NAAALMNAPAX8DPP7EPHX1
SCHEMBL4986402 0.95 NAAA (0.61) NAAALMNAPAX8HTTKDM4A
SCHEMBL5664082 0.91 NAAA (0.61) NAAALMNAPAX8DPP7EPHX1
SCHEMBL4201389 0.89 NAAA (0.53) NAAALMNAPAX8KDM4A
Hydrochloric Acid SCHEMBL4199636 0.87 NAAA (0.51) NAAALMNAPAX8KDM4A
Hydrochloric Acid SCHEMBL6254514 0.87 NAAA (0.51) NAAALMNAPAX8KDM4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN NAAA 2732/4885LMNA 800/4885PAX8 4674/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 NAAA 2148/4885LMNA 857/4885PAX8 4807/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 NAAA 2148/4885LMNA 857/4885PAX8 4807/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.